| SpectraBase Spectrum ID |
GKPG55CJgRj |
| Name |
4-Methyl-4-(p-methylphenyl)-1-pentanal; benzenebutanal, gamma,gamma,4-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-11-5-7-12(8-6-11)13(2,3)9-4-10-14/h5-8,10H,4,9H2,1-3H3 |
| InChIKey |
LHQUALTUGAZBDG-UHFFFAOYSA-N |
| Molecular Weight |
190.286 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)C(CCC=O)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.945788 |
